SCHEMBL9405607

SCHEMBL9405607

CCO[C@H](c1cc(C)cs1)[C@@H](NC(C)=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
DAO P14920 1/20 0.33
PIK3CG P48736 1/20 0.33
LMNA P02545 3/20 0.31
TACR1 P25103 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30
PTGS2 P35354 1/20 0.30
THPO P40225 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9152047 0.82 TACR1 (0.32) DAOPIK3CGLMNATACR1MAPT
SCHEMBL9287694 0.81 LMNA (0.34) SMN1; SMN2MEN1KMT2APIK3CGLMNA
SCHEMBL9151716 0.78 DAO (0.39) SMN1; SMN2MEN1KMT2ADAOKDM4E
SCHEMBL9151070 0.70
SCHEMBL9287269 0.68 DAO (0.32) DAO
SCHEMBL9405604 0.68 ACACB (0.45) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL6696769 0.67 DAO (0.31) DAO
SCHEMBL9151978 0.66 LMNA (0.35) SMN1; SMN2DAOLMNATACR1MAPT
SCHEMBL8370027 0.66 LMNA (0.35) SMN1; SMN2DAOLMNATACR1MAPT
SCHEMBL11685381 0.65 LMNA (0.33) MEN1KMT2ADAOLMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5284966-A Intermediates for the stereochemical inversion of (2S,3S)-2-amino-3-phenyl-1,3-propanediols into their (2R,3R) enantiomers ZAMBON GROUP S.P.A. (IT) 1994-02-08 US disclosed